SCHEMBL9102528

SCHEMBL9102528

CC(C)Oc1ccc(C(=O)O)cc1.Cc1ccc(OC(C)C)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.85
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PARP10 Q53GL7 1/20 0.59
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
SRD5A2 P31213 3/20 0.57
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SCN5A Q14524 1/20 0.54
SCN2A Q99250 1/20 0.54
NLRP1 Q9C000 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL503642 0.92 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2PARP10RXRA
Ethane SCHEMBL27686450 0.90 KMT2A (0.96) KMT2AALDH1A1SMN1; SMN2PARP10RXRA
SCHEMBL18997928 0.87 KMT2A (0.63) KMT2AALDH1A1SMN1; SMN2PARP10SRD5A2
SCHEMBL5849106 0.87 KMT2A (0.89) KMT2AALDH1A1PARP10RXRARXRB
Hydroquinone SCHEMBL8984334 0.85 KMT2A (0.85) KMT2AALDH1A1PARP10RXRARXRB
SCHEMBL14967103 0.84 KMT2A (0.61) KMT2AALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL27568057 0.84 KMT2A (0.82) KMT2AALDH1A1SMN1; SMN2PARP10RXRA
SCHEMBL20370928 0.82 SRD5A2 (0.66) KMT2AALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL12536671 0.82 MAPT (0.59) KMT2AALDH1A1PARP10MAPTNPSR1
SCHEMBL12254567 0.82 MAPT (0.59) KMT2AALDH1A1PARP10MAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed